7,9-dimethylbenzo[c]acridine

C19H15N — CID 13757

IUPAC7,9-dimethylbenzo[c]acridine
SMILESCc1ccc2nc3c(ccc4ccccc43)c(C)c2c1
InChIInChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3
InChIKeyHEFJMRLDXHSXEP-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.16
Rot. Bonds

About 7,9-dimethylbenzo[c]acridine

7,9-dimethylbenzo[c]acridine (PubChem CID 13757) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 7,9-dimethylbenzo[c]acridine.

Molecular Properties

Compound Name7,9-dimethylbenzo[c]acridine
PubChem CID13757
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name7,9-dimethylbenzo[c]acridine
SMILESCc1ccc2nc3c(ccc4ccccc43)c(C)c2c1
InChIInChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3
InChIKeyHEFJMRLDXHSXEP-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethylbenzo[c]acridine?
The IUPAC name of 7,9-dimethylbenzo[c]acridine (CID 13757) is 7,9-dimethylbenzo[c]acridine.
What is the SMILES notation for 7,9-dimethylbenzo[c]acridine?
The canonical SMILES for 7,9-dimethylbenzo[c]acridine is Cc1ccc2nc3c(ccc4ccccc43)c(C)c2c1.
What is the InChIKey of 7,9-dimethylbenzo[c]acridine?
The InChIKey is HEFJMRLDXHSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3.
What are the key properties of 7,9-dimethylbenzo[c]acridine?
7,9-dimethylbenzo[c]acridine has a molecular weight of 257.34 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethylbenzo[c]acridine is sourced from PubChem (CID 13757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).